tsgfSileSiesta¶
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class
sisl.io.siesta.
tsgfSileSiesta
(filename, mode='r', *args, **kwargs)¶ Attributes
base_file
File of the current Sile file
File of the current Sile Methods
__init__
(filename[, mode])Initialize self. dir_file
([filename])File of the current Sile exist
()Query whether the file exists read
(*args, **kwargs)Generic read method which should be overloaded in child-classes write
(*args, **kwargs)Generic write method which should be overloaded in child-classes write_hamiltonian
(H[, S])Write the current energy, k-point and H and S to the file write_header
(E, bz, obj[, mu])Write to the binary file the header of the file write_self_energy
(SE)Write the current energy, k-point and H and S to the file -
base_file
¶ File of the current Sile
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dir_file
(filename=None)¶ File of the current Sile
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exist
()¶ Query whether the file exists
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file
¶ File of the current Sile
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read
(*args, **kwargs)¶ Generic read method which should be overloaded in child-classes
Parameters: - kwargs :
keyword arguments will try and search for the attribute
read_<>
and call it with the remaining**kwargs
as arguments.
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write
(*args, **kwargs)¶ Generic write method which should be overloaded in child-classes
Parameters: - **kwargs :
keyword arguments will try and search for the attribute write_ and call it with the remaining
**kwargs
as arguments.
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write_hamiltonian
(H, S=None)¶ Write the current energy, k-point and H and S to the file
Parameters: - H : matrix
a square matrix corresponding to the Hamiltonian
- S : matrix, optional
a square matrix corresponding to the overlap, for efficiency reasons it may be advantageous to specify this argument for orthogonal cells.
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write_header
(E, bz, obj, mu=0.0)¶ Write to the binary file the header of the file
Parameters: - E : array_like of cmplx or float
the energy points. If obj is an instance of SelfEnergy where an associated
eta
is defined then E may be float, otherwise it has to be a complex array.- bz : BrillouinZone
contains the k-points and their weights
- obj : …
an object that contains the Hamiltonian definitions
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write_self_energy
(SE)¶ Write the current energy, k-point and H and S to the file
Parameters: - SE : matrix
a square matrix corresponding to the self-energy (Green function)
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